SCHEMBL16898800

SCHEMBL16898800

Cc1c2cc([N+](=O)[O-])c(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)cc2nn1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ MAPT P10636 7/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GPR174 Q9BXC1 2/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CTPS1 P17812 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16898918 0.85 MAPT (0.40) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL16898741 0.83 MEN1 (0.39) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL16898830 0.82 — —
SCHEMBL16898770 0.82 MAPT (0.47) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL17373804 0.81 MEN1 (0.39) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL16899215 0.80 MAPT (0.34) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL16898832 0.79 ALDH1A1 (0.50) MAPTALDH1A1HTTLMNAGAA
SCHEMBL16899040 0.78 MEN1 (0.36) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL16898950 0.78 KMT2A (0.39) KMT2AMEN1MAPTALDH1A1HTT
SCHEMBL16898717 0.78 MEN1 (0.35) KMT2AMEN1MAPTALDH1A1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092226-B1 INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2019-03-13 — — EP disclosed
US-10160753-B2 Indazole compounds as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-12-25 — — US disclosed
EP-3092226-A1 INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS Aurigene Discovery Technologies Limited (IN) 2016-11-16 — — EP disclosed
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-11-10 — — US disclosed
WO-2015104662-A1 INDAZOLE COMPOUNDS AS IRAK4 INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-16 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10160753-B2 Indazole compounds as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 KMT2A 341/4885MEN1 2151/4885MAPT 1817/4885
US-20160326151-A1 Indazole Compounds as IRAK4 Inhibitors IRAK4, IRAK3, IRAK1 KMT2A 341/4885MEN1 2151/4885MAPT 1817/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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